Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
 A
A
 A A
A
 A A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 1.258 ΔGbinding -1.314
TOTAL
 -0.056
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.256
Van der Waals -1.539 Backbone clash 0.000
Electrostatics 0.035 Helix dipole 0.000
Solvation Polar 1.356 Water bridges 0.000
Solvation Hyd -2.350 Disulfide 0.000
VdW clashes 0.005 Electrost. Kon 0.007
Entropy sc 0.047 Part.cov.bonds 0.000
Entropy mc

0.869

 ΔGstability

25.728
       

Predicted ligand sequences for model [LSB1_1CKA-12.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  LSB1_1CKA-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRFRPWWK 0.0
2 YRFRRWWK 0.0
3 WRFRRWWK 0.02
4 FRFRRWWK 0.03
5 FRFRPWWK 0.03
6 WRFRPWWK 0.03
7 YKFRRWWK 0.04
8 YKFRPWWK 0.04
9 YRFRPWWR 0.06
10 WKFRRWWK 0.06
11 YRFRRWWR 0.06
12 FKFRPWWK 0.07
13 FKFRRWWK 0.07
14 WKFRPWWK 0.07
15 FRFRRWWR 0.08
16 WRFRRWWR 0.08
17 WRFRPWWR 0.08
18 FRFRPWWR 0.09
19 YKFRRWWR 0.1
20 YKFRPWWR 0.1
21 YEFRPWWK 0.11
22 YEFRRWWK 0.11
23 WKFRRWWR 0.12
24 FKFRRWWR 0.12
25 WKFRPWWR 0.12
26 WEFRRWWK 0.13
27 FKFRPWWR 0.13
28 FEFRRWWK 0.14
29 WEFRPWWK 0.14
30 FEFRPWWK 0.14
31 YRFPRWWK 0.15
32 YRFPPWWK 0.16
33 YRFRHWWK 0.16
34 YEFRPWWR 0.17
35 YEFRRWWR 0.17
36 FRFPRWWK 0.18
37 WRFRHWWK 0.18
38 WRFPRWWK 0.18
39 WRFPPWWK 0.18
40 FRFPPWWK 0.19
41 FRFRHWWK 0.19
42 WEFRRWWR 0.19
43 YKFPRWWK 0.19
44 WEFRPWWR 0.19
45 FEFRRWWR 0.2
46 FEFRPWWR 0.2
47 YKFPPWWK 0.2
48 YKFRHWWK 0.2
49 YRFPPWWR 0.21
50 YRFPRWWR 0.21
51 YRFRHWWR 0.21
52 WKFPPWWK 0.22
53 WKFRHWWK 0.22
54 WKFPRWWK 0.22
55 FKFPRWWK 0.22
56 FKFRHWWK 0.23
57 WRFPRWWR 0.23
58 WRFPPWWR 0.23
59 FKFPPWWK 0.23
60 FRFPRWWR 0.24
61 WRFRHWWR 0.24
62 FRFPPWWR 0.24
63 FRFRHWWR 0.24
64 YKFPRWWR 0.25
65 YKFPPWWR 0.25
66 YKFRHWWR 0.25
67 YEFPRWWK 0.26
68 YRFKRWWK 0.26
69 YRFKPWWK 0.26
70 YEFPPWWK 0.27
71 YEFRHWWK 0.27
72 WKFPRWWR 0.27
73 WKFPPWWR 0.28
74 FKFRHWWR 0.28
75 WKFRHWWR 0.28
76 FKFPPWWR 0.28
77 FKFPRWWR 0.28
78 WRFKRWWK 0.28
79 WEFPRWWK 0.29
80 FRFKPWWK 0.29
81 WEFPPWWK 0.29
82 WEFRHWWK 0.29
83 WRFKPWWK 0.29
84 FEFPRWWK 0.29
85 FRFKRWWK 0.29
86 YKFKRWWK 0.3
87 FEFRHWWK 0.3
88 YKFKPWWK 0.3
89 FEFPPWWK 0.3
90 YRFPHWWK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WKFRRWWK

6.28

-7.81

-1.53
2 YEFRRWWK

6.54

-7.85

-1.31
3 FRFRRWWK

6.11

-7.38

-1.27
4 WRFRPWWK

5.97

-7.22

-1.25
5 YKFRPWWR

6.3

-7.44

-1.14
6 WKFRPWWR

6.3

-7.4

-1.1
7 FKFRRWWR

6.07

-7.17

-1.1
8 WKFRRWWR

6.13

-7.22

-1.09
9 YKFRPWWK

6.29

-7.29

-1.0
10 FEFRRWWK

6.29

-7.25

-0.96
11 YEFRPWWK

6.26

-7.19

-0.93
12 WRFRPWWR

6.41

-7.32

-0.91
13 WEFRPWWK

6.17

-7.07

-0.9
14 WRFRRWWK

6.27

-7.17

-0.9
15 FRFRPWWR

6.31

-7.17

-0.86
16 WKFRPWWK

6.42

-7.23

-0.81
17 FKFRRWWK

6.23

-7.0

-0.77
18 YKFRRWWK

6.23

-7.0

-0.77
19 YRFRRWWK

6.96

-7.7

-0.74
20 WEFRRWWK

6.39

-7.06

-0.67
21 FEFRPWWK

7.29

-7.96

-0.67
22 YRFRRWWR

6.22

-6.86

-0.64
23 FKFRPWWR

6.14

-6.76

-0.62
24 YRFRPWWR

6.27

-6.88

-0.61
25 FRFRRWWR

6.34

-6.88

-0.54
26 WRFRRWWR

6.26

-6.79

-0.53
27 YKFRRWWR

6.59

-7.04

-0.45
28 YRFRPWWK

6.32

-6.76

-0.44
29 FRFRPWWK

6.49

-6.71

-0.22
30 FKFRPWWK

6.37

-6.59

-0.22

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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